ChemSpider 2D Image | 1-(~2~H_3_)Methyl-L-(alpha,5-~2~H_2_)histidine | C7H6D5N3O2

1-(2H3)Methyl-L-(α,5-2H2)histidine

  • Molecular FormulaC7H6D5N3O2
  • Average mass174.212 Da
  • Monoisotopic mass174.116516 Da
  • ChemSpider ID48060496

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2H3)Methyl-L-(α,5-2H2)histidin [German] [ACD/IUPAC Name]
1-(2H3)Methyl-L-(α,5-2H2)histidine [ACD/IUPAC Name]
1-(2H3)Méthyl-L-(α,5-2H2)histidine [French] [ACD/IUPAC Name]
L-Histidine-α,5-d2, 1-methyl-d3- [ACD/Index Name]
(2S)-2-amino-2-deuterio-3-[5-deuterio-1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
1795786-96-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 415.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.8±25.9 °C
Index of Refraction: 1.613
Molar Refractivity: 42.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 122.7±7.0 cm3

Click to predict properties on the Chemicalize site


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